(4S)-7,7-dimethyl-2-methylsulfanyl-4-(2-nitrophenyl)-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: (4S)-7,7-dimethyl-2-methylsulfanyl-4-(2-nitrophenyl)-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: (4S)-7,7-dimethyl-2-methylsulfanyl-4-(2-nitrophenyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: (4S)-7,7-dimethyl-2-(methylthio)-4-(2-nitrophenyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: (4S)-7,7-dimethyl-2-methylsulfanyl-4-(2-nitrophenyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: (4S)-5-keto-7,7-dimethyl-2-(methylthio)-4-(2-nitrophenyl)-4,4a,6,8-tetrahydroquinoline-3-carbonitrile Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=NC(=C(C(C2C(=O)C1)C3=CC=CC=C3[N+](=O)[O-])C#N)SC)C

Isomeric SMILES

CC1(CC2=NC(=C([C@@H](C2C(=O)C1)C3=CC=CC=C3[N+](=O)[O-])C#N)SC)C

InChI

InChI=1S/C19H19N3O3S/c1-19(2)8-13-17(15(23)9-19)16(12(10-20)18(21-13)26-3)11-6-4-5-7-14(11)22(24)25/h4-7,16-17H,8-9H2,1-3H3/t16-,17?/m0/s1